Compound Detail
CHEMBL1985566
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COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1CC#N
Basic Information
| ChEMBL ID | CHEMBL1985566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAKSWJGBCYLXHW-UHFFFAOYSA-N |
9
Targets
15
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
560.6
MW (Da)
6.20
ALogP
7
HBA
2
HBD
95.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 15 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 7.6 | 7.6 | 25.1 | 2 |
| Serine/threonine-protein kinase PLK3 CHEMBL4897 | Ki | 6.0 | 6.0 | 1000.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 5.9 | 5.9 | 1258.9 | 2 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 5.9 | 5.9 | 1258.9 | 2 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | Ki | 5.6 | 5.6 | 2511.9 | 2 |
| Aurora kinase A CHEMBL4722 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.3 | 5.3 | 5011.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine